ASCEND
BY NTHRYS

NTHRYS › Internships

Ai De Novo Molecule Generation

Ai De Novo Molecule Generation
Category
Focused area
Variant
Pay · Join
Step 2 of 5Choose category
Field
▾
Category
▾
Focused area
▾

Ai De Novo Molecule Generation

Choose a category below to begin. Each category opens into focused areas, and selecting a focused area lets you pick your final internship variant (your preferred track, mode and duration).

Internship Types — tap to learn more
Mode — tap to learn more
Duration — tap to learn more
🔍

Showing 1–20 of 50

Diffusion Models for 3D Molecular Generation Research
Internship applying diffusion models that generate 3D molecular structures directly in binding sites. Interns work with realistic case datasets.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,158
R · ₹32,231
3 Months
A · ₹29,137
T · ₹35,612
R · ₹51,799
6 Months
A · ₹64,749
T · ₹79,137
R · ₹1,15,109
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Transformer-Based De Novo Drug Molecule Design
Internship designing drug molecules with transformer models that write chemistry the way LLMs write text. Interns practise on genuine research problems.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹21,823
R · ₹31,742
3 Months
A · ₹28,696
T · ₹35,072
R · ₹51,014
6 Months
A · ₹63,768
T · ₹77,939
R · ₹1,13,366
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
AI Fragment-Based Molecule Growing Research
Internship growing fragment hits into leads with AI that proposes additions preserving binding geometry. Interns practise on genuine research problems.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,574
R · ₹32,834
3 Months
A · ₹29,683
T · ₹36,279
R · ₹52,769
6 Months
A · ₹65,962
T · ₹80,620
R · ₹1,17,265
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Reinforcement Learning for Multi-Property Optimization
Internship optimising potency, selectivity, and ADMET together with reinforcement learning over molecules. Hands-on work runs alongside theory modules.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,529
R · ₹32,770
3 Months
A · ₹29,625
T · ₹36,208
R · ₹52,666
6 Months
A · ₹65,833
T · ₹80,462
R · ₹1,17,036
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
AI Scaffold Hopping for Novel Chemotype Discovery
Internship discovering fresh chemotypes with AI scaffold hopping that escapes crowded patent space. Guided practice with real datasets throughout.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,229
R · ₹32,333
3 Months
A · ₹29,230
T · ₹35,725
R · ₹51,964
6 Months
A · ₹64,955
T · ₹79,390
R · ₹1,15,476
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Latent Space Exploration of Chemical Diversity AI
Internship exploring learned chemical latent spaces to sample diverse candidates beyond enumerated libraries. Mentor-led sessions build applied skill.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹21,708
R · ₹31,575
3 Months
A · ₹28,545
T · ₹34,888
R · ₹50,746
6 Months
A · ₹63,433
T · ₹77,529
R · ₹1,12,769
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
AI Synthesizability-Constrained Molecule Generation
Internship generating molecules under synthesizability constraints so proposals survive contact with the lab. Includes mentored hands-on analysis sessions.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹21,637
R · ₹31,473
3 Months
A · ₹28,452
T · ₹34,774
R · ₹50,581
6 Months
A · ₹63,226
T · ₹77,276
R · ₹1,12,402
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
AI De Novo Peptide & Macrocycle Design Research
Internship designing peptides and macrocycles with AI that balances binding, stability, and permeability. Hands-on work runs alongside theory modules.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,070
R · ₹32,102
3 Months
A · ₹29,021
T · ₹35,470
R · ₹51,593
6 Months
A · ₹64,491
T · ₹78,822
R · ₹1,14,650
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
AI Target-Conditioned Molecule Generation Studies
Internship generating molecules conditioned on target structure so chemistry starts inside the right pocket. Practical exercises anchor every concept taught.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,203
R · ₹32,295
3 Months
A · ₹29,195
T · ₹35,683
R · ₹51,902
6 Months
A · ₹64,878
T · ₹79,295
R · ₹1,15,338
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
AI PROTACs & Bifunctional Molecule Design Research
Internship designing PROTACs and bifunctional degraders with AI optimisation of linkers and ternary complexes. Applied sessions reinforce each technique.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,000
R · ₹31,999
3 Months
A · ₹28,928
T · ₹35,356
R · ₹51,427
6 Months
A · ₹64,284
T · ₹78,570
R · ₹1,14,283
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Graph Neural Networks for Molecular Property Prediction
Research applying graph neural network architectures to predict physicochemical and pharmacological properties of computationally generated molecules.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹21,920
R · ₹31,884
3 Months
A · ₹28,823
T · ₹35,229
R · ₹51,242
6 Months
A · ₹64,052
T · ₹78,286
R · ₹1,13,870
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Variational Autoencoders for Chemical Space Navigation
Investigation of VAE-based models for systematic exploration and sampling of novel chemical structures within high-dimensional molecular space.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹21,955
R · ₹31,935
3 Months
A · ₹28,870
T · ₹35,285
R · ₹51,324
6 Months
A · ₹64,155
T · ₹78,412
R · ₹1,14,054
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Generative Adversarial Networks for Drug-Like Molecule Synthesis
Development and optimization of GAN frameworks to generate molecules with improved drug-like properties and biological activity.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹21,770
R · ₹31,665
3 Months
A · ₹28,626
T · ₹34,987
R · ₹50,891
6 Months
A · ₹63,613
T · ₹77,750
R · ₹1,13,090
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Physics-Informed Neural Networks for Molecular Dynamics
Integration of physics constraints and molecular dynamics simulations into neural network models for de novo molecule generation.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,379
R · ₹32,552
3 Months
A · ₹29,427
T · ₹35,967
R · ₹52,315
6 Months
A · ₹65,394
T · ₹79,926
R · ₹1,16,256
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Multi-Objective Genetic Algorithm Optimization for Polypharmacology
Research on evolutionary algorithms balancing multiple therapeutic targets and off-target activity in computationally designed molecules.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,900
R · ₹33,310
3 Months
A · ₹30,112
T · ₹36,804
R · ₹53,533
6 Months
A · ₹66,917
T · ₹81,787
R · ₹1,18,963
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Molecular Docking-Guided Deep Learning Generation
Integration of molecular docking scoring functions within deep generative models to prioritize binding affinity during molecule generation.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,521
R · ₹32,757
3 Months
A · ₹29,613
T · ₹36,194
R · ₹52,645
6 Months
A · ₹65,807
T · ₹80,431
R · ₹1,16,990
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Fragment Library Expansion Using Attention Mechanisms
Development of attention-based models for systematically expanding chemical fragment libraries and discovering novel building blocks for synthesis.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,158
R · ₹32,230
3 Months
A · ₹29,137
T · ₹35,612
R · ₹51,799
6 Months
A · ₹64,749
T · ₹79,137
R · ₹1,15,109
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Flow-Based Generative Models for Molecular Design
Application of normalizing flow architectures to generate molecules with exact property constraints and improved sampling efficiency.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹21,699
R · ₹31,563
3 Months
A · ₹28,533
T · ₹34,874
R · ₹50,725
6 Months
A · ₹63,407
T · ₹77,497
R · ₹1,12,723
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Molecular Similarity and Diversity Metrics Research
Investigation of novel similarity and diversity metrics for evaluating and controlling chemical space coverage in generated molecular libraries.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹22,247
R · ₹32,359
3 Months
A · ₹29,253
T · ₹35,754
R · ₹52,005
6 Months
A · ₹65,007
T · ₹79,453
R · ₹1,15,568
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →
Active Learning for Iterative Molecule Optimization
Research on active learning strategies to efficiently guide machine learning models toward better molecules through selective experimental validation.
Academic (A)Tech (T)Research (R)
1 Month
A · ₹7,670
T · ₹21,682
R · ₹31,537
3 Months
A · ₹28,510
T · ₹34,845
R · ₹50,684
6 Months
A · ₹63,355
T · ₹77,434
R · ₹1,12,631
14 more durations from 5 days to 1 year
10 focused areasClick to view more details →